Debug Info

object
{15}
_id
:
74Ibiu85GE5
spectrumID
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74Ibiu85GE5
cost
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1
specType
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262144
xnmrNucleus
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dbLocation
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WRX:293637:1
hasStructureAssignments
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properties
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analyticalTechnique
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13C NMR
analyticalTechniqueLongName
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
isFullSpectrum
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spectralOutlier
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compound
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1735074081058
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VITROFOLAL-F
SpectraBase Compound ID LbKjnu5Bfff
InChI InChI=1S/C19H16O6/c1-24-16-6-10(3-4-14(16)21)18-13-8-15(22)17(25-2)7-11(13)5-12(9-20)19(18)23/h3-9,21-23H,1-2H3
InChIKey FEHGMZDBZVCEBR-UHFFFAOYSA-N
Mol Weight 340.33 g/mol
Molecular Formula C19H16O6
Exact Mass 340.094688 g/mol
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13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 74Ibiu85GE5
Name VITROFOLAL_F
Compound Number 9
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H16O6
InChI InChI=1S/C19H16O6/c1-24-16-6-10(3-4-14(16)21)18-13-8-15(22)17(25-2)7-11(13)5-12(9-20)19(18)23/h3-9,21-23H,1-2H3
InChIKey FEHGMZDBZVCEBR-UHFFFAOYSA-N
Literature Reference Author C.J.ZHENG,B.K.HUANG,T.HAN,Q.Y.ZHANG,H.ZHANG,K.RAHMAN,L.P.QIN
Literature Reference Citation J.NAT.PROD.,72,1627(2009)
Literature Reference DOI 10.1021/np900320e
Molecular Weight 340.332 g/mol
Sample ID 33526
Solvent DMSO-D6
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